3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide

C12H20BrN5O — CID 106280543

IUPAC3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
SMILESCCCNc1ncc(Br)c(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C12H20BrN5O/c1-4-5-15-11-16-6-8(13)9(18-11)17-7-12(2,3)10(14)19/h6H,4-5,7H2,1-3H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyMOPUQVFHCWQZKY-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.98
Rot. Bonds7

About 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide

3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide (PubChem CID 106280543) has the molecular formula C12H20BrN5O and a molecular weight of 330.23 g/mol. Its IUPAC name is 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
PubChem CID106280543
Molecular FormulaC12H20BrN5O
Molecular Weight330.23 g/mol
Exact Mass329.09
IUPAC Name3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
SMILESCCCNc1ncc(Br)c(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C12H20BrN5O/c1-4-5-15-11-16-6-8(13)9(18-11)17-7-12(2,3)10(14)19/h6H,4-5,7H2,1-3H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyMOPUQVFHCWQZKY-UHFFFAOYSA-N
XLogP1.98
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 106280601
3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280482
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347577
5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
CID 80768856
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide
CID 103745842
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
5-bromo-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375
5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 83147667
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80843445
5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80845273
5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide
CID 114162870
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179478

Frequently Asked Questions

What is the IUPAC name of 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide (CID 106280543) is 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide is CCCNc1ncc(Br)c(NCC(C)(C)C(N)=O)n1.
What is the InChIKey of 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
The InChIKey is MOPUQVFHCWQZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN5O/c1-4-5-15-11-16-6-8(13)9(18-11)17-7-12(2,3)10(14)19/h6H,4-5,7H2,1-3H3,(H2,14,19)(H2,15,16,17,18).
What are the key properties of 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide has a molecular weight of 330.23 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106280543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).